AG002S8G

26197-93-3 | Benzenecarbothioamide, 4-bromo-

AG002S8G

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CAS Number	26197-93-3
Catalog Number	AG002S8G(AGN-PC-0K6O68)
Chemical Name	Benzenecarbothioamide, 4-bromo-
IUPAC Name	4-bromobenzenecarbothioamide
InChI	InChI=1S/C7H6BrNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key	AIPANIYQEBQYGC-UHFFFAOYSA-N
MDL Number	MFCD04114360
Molecular Formula	C7H6BrNS
Molecular Weight	216.0982
NSC Number	281618
SMILES	NC(C1=CC=C(Br)C=C1)=S
Synonyms	4-Bromothiobenzamide, 26197-93-3, 4-bromo-thiobenzamide, 4-bromobenzenecarbothioamide, 4-Bromobenzothioamide, p-bromothiobenzamide, benzenecarbothioamide, 4-bromo-, MFCD04114360, amino(4-bromophenyl)methane-1-thione, NSC281618, ACMC-1CEHR, AC1LU7ZV, 4-Bromothiobenzamide, 97%, 4-bromanylbenzenecarbothioamide, SCHEMBL999667, Benzenecarbothioamide,4-bromo-, CTK1A2958, DTXSID20364297, AIPANIYQEBQYGC-UHFFFAOYSA-N, ZINC6512187, FC0683, SBB095205, STL301994, AKOS001050978, 4-BROMOBENZENE-1-CARBOTHIOAMIDE, AB18142, CB-2992, MCULE-5567400915, NSC-281618, AJ-56295, AS-47426, CJ-13013, DB-046886, TC-168991, FT-0638582, ST51042051, V4765, K-6806, A818316, I01-7705, J-016320, InChI=1/C7H6BrNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10, C7H6BrNS, CID1549289,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.94g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.096g/mol
Monoisotopic Mass	214.94g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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